4-(3-bromophenyl)morpholine-3-carboxamide

C11H13BrN2O2 — CID 130363342

IUPAC4-(3-bromophenyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1cccc(Br)c1
InChIInChI=1S/C11H13BrN2O2/c12-8-2-1-3-9(6-8)14-4-5-16-7-10(14)11(13)15/h1-3,6,10H,4-5,7H2,(H2,13,15)
InChIKeyBZJKQBWMVRJLEZ-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.14
Rot. Bonds2

About 4-(3-bromophenyl)morpholine-3-carboxamide

4-(3-bromophenyl)morpholine-3-carboxamide (PubChem CID 130363342) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 4-(3-bromophenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-bromophenyl)morpholine-3-carboxamide
PubChem CID130363342
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name4-(3-bromophenyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1cccc(Br)c1
InChIInChI=1S/C11H13BrN2O2/c12-8-2-1-3-9(6-8)14-4-5-16-7-10(14)11(13)15/h1-3,6,10H,4-5,7H2,(H2,13,15)
InChIKeyBZJKQBWMVRJLEZ-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)morpholine-3-carboxamide?
The IUPAC name of 4-(3-bromophenyl)morpholine-3-carboxamide (CID 130363342) is 4-(3-bromophenyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(3-bromophenyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(3-bromophenyl)morpholine-3-carboxamide is NC(=O)C1COCCN1c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)morpholine-3-carboxamide?
The InChIKey is BZJKQBWMVRJLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-8-2-1-3-9(6-8)14-4-5-16-7-10(14)11(13)15/h1-3,6,10H,4-5,7H2,(H2,13,15).
What are the key properties of 4-(3-bromophenyl)morpholine-3-carboxamide?
4-(3-bromophenyl)morpholine-3-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)morpholine-3-carboxamide is sourced from PubChem (CID 130363342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).